Vitas-M small molecule compound
2-[4-(2-hydroxyethyl)piperazin-1-yl]-9-methyl-3-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK815697
SMILES OCCN1CCN(CC1)c1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CCc1ccccc1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C27H29N5O3S2 MW 535.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N5O3S2/c1-19-6-5-10-31-23(19)28-24(30-14-12-29(13-15-30)16-17-33)21(25(31)34)18-22-26(35)32(27(36)37-22)11-9-20-7-3-2-4-8-20/h2-8,10,18,33H,9,11-17H2,1H3/b22-18-InChIKey
PDCVFGOHPBBANF-PYCFMQQDSA-NSynonyms
477734-55-7(5Z)5((2(4(2hydroxyethyl)piperazin1yl)9methyl4oxopyrido(12a)pyrimidin3yl)methylidene)3(2phenylethyl)2sulfanylidene13thiazolidin4one
(5Z)5((2(4(2HYDROXYETHYL)PIPERAZIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3PHENETHYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(4(2hydroxyethyl)piperazin1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3phenethyl2thioxothiazolidin4one
2(4(2hydroxyethyl)piperazin1yl)9methyl3((Z)(4oxo3(2phenylethyl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
477734557
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCC4=CC=CC=C4)N5CCN(CC5)CCO
InChI=1SC27H29N5O3S2c11965103123(19)2824(30141229(131530)161733)21(25(31)34)182226(35)32(27(36)3722)119207324820h28101833H91117H21H3b2218
MFCD03290061
OCCN1CCN(CC1)c1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C1=O)CCc1ccccc1
ZINC000100770354
ZINC100770354
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